N-(6-chloranyl-1,3-benzothiazol-2-yl)-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-isobutyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-isobutyl-4-keto-phthalazine-1-carboxamide Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C20H17ClN4O2S/c1-11(2)10-25-19(27)14-6-4-3-5-13(14)17(24-25)18(26)23-20-22-15-8-7-12(21)9-16(15)28-20/h3-9,11H,10H2,1-2H3,(H,22,23,26)